Cinchonine ethiodide
Basic information
- CAS
73803-49-3- Standard SMILES
C=CC1C[N+]2(CC)CCC1CC2[C@H](O)c1ccnc2ccccc12.[I-]- InChIKey
CIROVDBLKVOBDQ-KHFHOJMMSA-M- Molecular formula
- C21H27IN2O
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.11681
Names & identifiers
- Preferred name
- Cinchonine ethiodide
- IUPAC
- (R)-(5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide
Names & synonyms
Cinchonine ethiodide73803-49-3RefChem:1081583(9S)-9-Hydroxy-1-ethylcinchonan-1-ium iodideCinchonan-1-ium, 1-ethyl-9-hydroxy-, iodide, (9S)-
Database identifiers
- CAS
73803-49-3- PubChem CID
- 52509
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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